ChemSpider 2D Image | (+)-alpha-carotene | C40H56

(+)-α-carotene

  • Molecular FormulaC40H56
  • Average mass536.873 Da
  • Monoisotopic mass536.438232 Da
  • ChemSpider ID4925358
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-α-carotene
(6R)-4,5-Didehydro-5,6-dihydro-β,β-carotene [ACD/IUPAC Name]
(6R)-4,5-Didéhydro-5,6-dihydro-β,β-carotène [French] [ACD/IUPAC Name]
(6R)-4,5-Didehydro-5,6-dihydro-β,β-carotin [German] [ACD/IUPAC Name]
?-carotene
α-Carotene [Wiki]
β,β-Carotene, 4,5-didehydro-5,6-dihydro-, (6R)- [ACD/Index Name]
(6r)-??,??-carotene
(6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
(6'R)-β,ε-carotene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

45XWE1Z69V [DBID]
CHEBI:35147 [DBID]
UNII:45XWE1Z69V [DBID]
UNII-45XWE1Z69V [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 644.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 91.7±0.8 kJ/mol
Flash Point: 341.2±20.8 °C
Index of Refraction: 1.563
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.45
ACD/LogD (pH 5.5): 13.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 572.1±3.0 cm3

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